ChemSpider 2D Image | 1-[(1-Hydroxy-2-methyl-2-propanyl)amino]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol | C18H35NO3

1-[(1-Hydroxy-2-methyl-2-propanyl)amino]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol

  • Molecular FormulaC18H35NO3
  • Average mass313.475 Da
  • Monoisotopic mass313.261688 Da
  • ChemSpider ID21663062

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(1-Hydroxy-2-methyl-2-propanyl)amino]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [ACD/IUPAC Name]
1-[(1-Hydroxy-2-methyl-2-propanyl)amino]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [German] [ACD/IUPAC Name]
1-[(1-Hydroxy-2-méthyl-2-propanyl)amino]-4-[(1,7,7-triméthylbicyclo[2.2.1]hept-2-yl)oxy]-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1-[(2-hydroxy-1,1-dimethylethyl)amino]-4-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 434.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 216.7±25.9 °C
Index of Refraction: 1.512
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 63.22
Polar Surface Area: 62 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 299.1±5.0 cm3

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